2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C10H10BrN3O — CID 117154315

IUPAC2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccc(-c2nc3n(n2)CCCC3)o1
InChIInChI=1S/C10H10BrN3O/c11-8-5-4-7(15-8)10-12-9-3-1-2-6-14(9)13-10/h4-5H,1-3,6H2
InChIKeyBWUXJHFEEIDHMR-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.64
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117154315) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117154315
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccc(-c2nc3n(n2)CCCC3)o1
InChIInChI=1S/C10H10BrN3O/c11-8-5-4-7(15-8)10-12-9-3-1-2-6-14(9)13-10/h4-5H,1-3,6H2
InChIKeyBWUXJHFEEIDHMR-UHFFFAOYSA-N
XLogP2.64
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 117154315) is 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Brc1ccc(-c2nc3n(n2)CCCC3)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BWUXJHFEEIDHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c11-8-5-4-7(15-8)10-12-9-3-1-2-6-14(9)13-10/h4-5H,1-3,6H2.
What are the key properties of 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 268.11 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117154315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).